2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one

C11H14FNO2 — CID 116567366

IUPAC2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-15-6-5-10(13)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,13H2,1H3
InChIKeyKZWUPZCXPSZLMP-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one

2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one (PubChem CID 116567366) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
PubChem CID116567366
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-15-6-5-10(13)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,13H2,1H3
InChIKeyKZWUPZCXPSZLMP-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluorophenyl)-4-methylsulfonylbutan-1-one
CID 116552047
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
CID 114607534
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybutan-1-one
CID 107290956
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one (CID 116567366) is 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one is COCCC(N)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one?
The InChIKey is KZWUPZCXPSZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-6-5-10(13)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,13H2,1H3.
What are the key properties of 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one?
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one has a molecular weight of 211.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one is sourced from PubChem (CID 116567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).